2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine

C14H14F2IN3 — CID 66307321

IUPAC2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(F)cc(F)c2)nc(C)c1I
InChIInChI=1S/C14H14F2IN3/c1-3-4-18-14-12(17)8(2)19-13(20-14)9-5-10(15)7-11(16)6-9/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyXKNBIYBOWKKUQZ-UHFFFAOYSA-N
MW389.19 g/mol
LogP4.16
Rot. Bonds4

About 2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine

2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 66307321) has the molecular formula C14H14F2IN3 and a molecular weight of 389.19 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
PubChem CID66307321
Molecular FormulaC14H14F2IN3
Molecular Weight389.19 g/mol
Exact Mass389.02
IUPAC Name2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(F)cc(F)c2)nc(C)c1I
InChIInChI=1S/C14H14F2IN3/c1-3-4-18-14-12(17)8(2)19-13(20-14)9-5-10(15)7-11(16)6-9/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyXKNBIYBOWKKUQZ-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.19
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305737
5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120
2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305936
5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66306328
2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66297674
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 66305532
2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine
CID 66306993
5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148158
2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66423303
5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 66305735
2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305726

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine (CID 66307321) is 2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cc(F)cc(F)c2)nc(C)c1I.
What is the InChIKey of 2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is XKNBIYBOWKKUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2IN3/c1-3-4-18-14-12(17)8(2)19-13(20-14)9-5-10(15)7-11(16)6-9/h5-7H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 389.19 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66307321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).